ATOM 82
1 C1y C 25.4872 -23.8292
2 C8y C 26.6322 -23.3257
3 C1x C 25.4731 -26.1502
4 C5a C 28.3570 -9.3447
5 O5a O 29.6353 -9.3447
6 N1a N 30.2746 -8.1941
7 C5a C 29.6353 -7.1074
8 C2c C 28.3570 -7.1074
9 N1b N 27.7177 -8.2579
10 O5a O 30.2746 -6.0207
11 C2a C 27.7177 -6.0207
12 C8y C 22.2723 -22.8322
13 C8y C 24.9571 -17.9102
14 N5x N 21.6970 -15.8647
15 C8y C 22.0805 -14.6502
16 S2x S 21.0578 -13.9471
17 C8x C 20.0350 -14.6502
18 C8y C 20.4186 -15.8647
19 C8y C 24.3178 -15.9287
20 C8x C 23.2950 -16.6957
21 S2x S 23.6786 -17.9102
22 N5x N 25.4045 -16.6957
23 C8y C 24.3178 -14.6502
24 N5x N 25.4045 -14.0109
25 C8y C 25.4045 -12.7326
26 C8y C 24.3178 -12.0933
27 C8x C 23.1672 -12.7326
28 C8y C 23.1672 -14.0109
29 C5a C 20.0350 -17.0792
30 N1b N 18.9484 -17.7185
31 C1c C 18.4370 -18.9330
32 C1c C 17.1586 -18.9330
33 O1a O 16.4554 -20.0836
34 C1a C 16.5193 -17.9102
35 C5a C 19.0762 -20.0196
36 N1b N 18.4370 -21.1063
37 C2c C 19.0762 -22.1930
38 C2b C 18.4370 -23.3436
39 C1a C 17.1586 -23.3436
40 O5a O 20.3546 -20.0196
41 O5a O 21.0578 -17.9102
42 C8y C 20.3546 -22.1930
43 N5x N 21.0578 -23.2158
44 C8x C 22.2723 -21.5538
45 S2x S 21.0578 -21.1703
46 C8y C 26.4911 -12.0933
47 S2x S 27.6418 -12.6686
48 C8x C 28.5366 -11.7098
49 C8y C 27.8975 -10.5592
50 N5x N 26.6190 -10.8148
51 O1a O 24.3178 -10.8148
52 C5a C 23.3034 -23.5880
53 N1b N 24.4623 -23.0778
54 O5a O 23.2911 -24.8708
55 S2x S 27.7342 -23.9687
56 C8x C 28.6863 -23.1194
57 C8y C 28.1726 -21.9513
58 N5x N 26.9031 -22.0788
59 C5x C 28.8180 -20.8453
60 O5x O 30.0708 -20.8512
61 N1x N 28.1801 -19.7283
62 C1y C 25.6883 -19.8538
63 C1x C 26.4521 -18.5047
64 S2x S 27.6953 -18.4558
65 C5x C 28.2807 -17.3438
66 C8y C 29.5588 -17.3579
67 O5x O 27.6223 -16.2392
68 C1y C 26.5724 -26.8009
69 O1a O 26.6286 -28.0738
70 C1x C 32.5861 -24.7462
71 C8y C 30.2883 -18.3852
72 C8y C 31.4908 -18.0089
73 C8y C 31.5046 -16.7489
74 N4x N 30.3104 -16.3465
75 C8y C 32.5910 -18.6600
76 C8x C 33.7051 -18.0328
77 C8x C 33.7187 -16.7728
78 C8x C 32.6185 -16.1216
79 C1a C 29.8855 -19.5793
80 C7x C 27.6754 -26.1798
81 O7x O 28.7871 -26.8379
82 O6a O 27.6191 -24.8778
BOND 91
1 1 2 1
2 1 3 1
3 7 10 2
4 42 43 2
5 43 12 1
6 12 44 2
7 44 45 1
8 45 42 1
9 4 5 2
10 25 46 1
11 8 11 2
12 6 7 1
13 23 24 2
14 24 25 1
15 46 47 1
16 47 48 1
17 48 49 2
18 49 50 1
19 50 46 2
20 49 4 1
21 22 13 2
22 20 21 1
23 25 26 2
24 26 27 1
25 27 28 2
26 28 23 1
27 28 15 1
28 7 8 1
29 18 29 1
30 14 15 2
31 29 30 1
32 15 16 1
33 31 30 1 #Down
34 16 17 1
35 31 32 1
36 17 18 2
37 32 33 1 #Down
38 18 14 1
39 32 34 1
40 31 35 1
41 8 9 1
42 35 36 1
43 36 37 1
44 9 4 1
45 37 38 2
46 19 20 2
47 38 39 1
48 21 13 1
49 35 40 2
50 22 19 1
51 29 41 2
52 37 42 1
53 19 23 1
54 26 51 1
55 12 52 1
56 52 53 1
57 52 54 2
58 1 53 1 #Up
59 2 55 1
60 55 56 1
61 56 57 2
62 57 58 1
63 2 58 2
64 57 59 1
65 59 60 2
66 59 61 1
67 13 62 1
68 62 61 1 #Down
69 62 63 1
70 63 64 1
71 64 65 1
72 65 66 1
73 65 67 2
74 3 68 1
75 68 69 1
76 66 71 2
77 71 72 1
78 72 73 1
79 73 74 1
80 66 74 1
81 72 75 2
82 75 76 1
83 76 77 2
84 77 78 1
85 73 78 2
86 71 79 1
87 75 70 1
88 68 80 1
89 80 81 1
90 80 82 2
91 81 70 1
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